1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea

C10H13ClFN3O3S — CID 116645815

IUPAC1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H13ClFN3O3S/c1-2-3-14-10(16)15-19(17,18)9-5-8(13)7(12)4-6(9)11/h4-5H,2-3,13H2,1H3,(H2,14,15,16)
InChIKeyAMOKDTOLFYHPCL-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.46
Rot. Bonds4

About 1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea

1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea (PubChem CID 116645815) has the molecular formula C10H13ClFN3O3S and a molecular weight of 309.75 g/mol. Its IUPAC name is 1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea.

Molecular Properties

Compound Name1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea
PubChem CID116645815
Molecular FormulaC10H13ClFN3O3S
Molecular Weight309.75 g/mol
Exact Mass309.04
IUPAC Name1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H13ClFN3O3S/c1-2-3-14-10(16)15-19(17,18)9-5-8(13)7(12)4-6(9)11/h4-5H,2-3,13H2,1H3,(H2,14,15,16)
InChIKeyAMOKDTOLFYHPCL-UHFFFAOYSA-N
XLogP1.46
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea
CID 116645848
1-(5-amino-2-chloro-4-methylphenyl)sulfonyl-3-butylurea
CID 116645763
1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea
CID 116645823
1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-3-propylurea
CID 116645883
2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 61476091
5-amino-2-chloro-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 61112854
5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355879
methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 61496306
5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316367
5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106333642

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea?
The IUPAC name of 1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea (CID 116645815) is 1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea.
What is the SMILES notation for 1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea?
The canonical SMILES for 1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea is CCCNC(=O)NS(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea?
The InChIKey is AMOKDTOLFYHPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O3S/c1-2-3-14-10(16)15-19(17,18)9-5-8(13)7(12)4-6(9)11/h4-5H,2-3,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea?
1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea has a molecular weight of 309.75 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea is sourced from PubChem (CID 116645815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).